Geometry & MOs

Info

ID:	273756
PubChem CID:	103799536
Reduced:	SO3N5C11H15 (1)
Stoich.:	AB3C5D11E15 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	10.0
IP(EA), eV:	-9.84(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C=CS1)N2C=NN=N2

DOS

IR

Vibrations